SCHEMBL4146536

SCHEMBL4146536

COc1cccc(CCCCCCC(=O)c2ncc(I)o2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.69
CES1 P23141 3/20 0.60
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3144715 0.85 FAAH (0.71) FAAHCES1HDAC1HDAC6
SCHEMBL713006 0.84 FAAH (0.76) FAAHCES1
SCHEMBL3148633 0.82 FAAH (1.00) FAAHCES1
SCHEMBL1471891 0.81 FAAH (1.00) FAAHCES1
SCHEMBL3136720 0.80 FAAH (0.68) FAAHCES1HDAC1HDAC6
SCHEMBL3144371 0.77 FAAH (0.53) FAAHHDAC1HDAC6
SCHEMBL1472114 0.75 FAAH (1.00) FAAHCES1
SCHEMBL25035334 0.74 HDAC1 (0.72) HDAC1HDAC6
SCHEMBL17274767 0.74 HDAC1 (0.72) HDAC1HDAC6
SCHEMBL710937 0.74 HDAC1 (0.72) HDAC1HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268817-B2 Substituted oxazole ketone modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-18 US disclosed
US-8268817-B2 Substituted oxazole ketone modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-18 US disclosed
US-20100075931-A1 Substituted oxazole ketone modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2010-03-25 US disclosed
US-20100075931-A1 Substituted oxazole ketone modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2010-03-25 US disclosed
EP-2068862-A2 SUBSTITUTED OXAZOLE KETONE MODULATORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2009-06-17 EP disclosed
WO-2008030532-A2 SUBSTITUTED OXAZOLE KETONE MODULATORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-13 WO disclosed
WO-2008030532-A2 SUBSTITUTED OXAZOLE KETONE MODULATORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100075931-A1 Substituted oxazole ketone modulators of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 FAAH 1/4885CES1 94/4885HDAC1 109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.